methyl 4-[5-cyano-2-methyl-6-methylsulfanyl-3-(phenylcarbamoyl)-1,4-dihydropyridin-4-yl]benzoate

Systemtic Name: methyl 4-[5-cyano-2-methyl-6-methylsulfanyl-3-(phenylcarbamoyl)-1,4-dihydropyridin-4-yl]benzoate Openeye Name: methyl 4-[5-cyano-2-methyl-6-methylsulfanyl-3-(phenylcarbamoyl)-1,4-dihydropyridin-4-yl]benzoate CAS Name: 4-[3-[anilino(oxo)methyl]-5-cyano-2-methyl-6-(methylthio)-1,4-dihydropyridin-4-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-cyano-2-methyl-6-methylsulfanyl-3-(phenylcarbamoyl)-1,4-dihydropyridin-4-yl]benzoate Traditional Name: 4-[5-cyano-2-methyl-6-(methylthio)-3-(phenylcarbamoyl)-1,4-dihydropyridin-4-yl]benzoic acid methyl ester Formula: C23H21N3O3S MolecularWeight: 419.49614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)SC)C#N)C2=CC=C(C=C2)C(=O)OC)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(C(=C(N1)SC)C#N)C2=CC=C(C=C2)C(=O)OC)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C23H21N3O3S/c1-14-19(21(27)26-17-7-5-4-6-8-17)20(18(13-24)22(25-14)30-3)15-9-11-16(12-10-15)23(28)29-2/h4-12,20,25H,1-3H3,(H,26,27)